3,5-dichloro-2-fluoropyridine

• ChemBase ID: 93792
• Molecular Formular: C5H2Cl2FN
• Molecular Mass: 165.9804832
• Monoisotopic Mass: 164.95483265
• SMILES: n1c(c(cc(c1)Cl)Cl)F
• Canonical SMILES: Clc1cnc(c(c1)Cl)F
• InChI: InChI=1S/C5H2Cl2FN/c6-3-1-4(7)5(8)9-2-3/h1-2H
• InChIKey: FHQWUIZMJXPGRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-2-fluoropyridine
• IUPAC Traditional name: 3,5-dichloro-2-fluoropyridine
• Synonyms: 3,5-Dichloro-2-fluoropyridine; 3,5-Dichloro-2-fluoropyridine; 2-Fluoro-3,5-dichloropyridine; 3,5-二氯-2-氟吡啶

Database IDs

• CAS Number: 823-56-3
• EC Number: 000-000-0
• MDL Number: MFCD04039349
• Beilstein Number: 1365267
• PubChem SID: 162080458
• PubChem CID: 2783256

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5002954
• LogD (pH = 7.4): 2.5002954
• Log P: 2.5002954
• Molar Refractivity: 34.7418 cm^3
• Polarizability: 13.110845 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41-43°C; 41-43°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%